2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid

C12H19F3N2O2 — CID 63909565

IUPAC2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid
SMILESCNC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H19F3N2O2/c1-16-11(10(18)19,8-2-3-8)6-17(9-4-5-9)7-12(13,14)15/h8-9,16H,2-7H2,1H3,(H,18,19)
InChIKeyUTSLXYBGHPXPAK-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.47
Rot. Bonds7

About 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid

2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid (PubChem CID 63909565) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid
PubChem CID63909565
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid
SMILESCNC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H19F3N2O2/c1-16-11(10(18)19,8-2-3-8)6-17(9-4-5-9)7-12(13,14)15/h8-9,16H,2-7H2,1H3,(H,18,19)
InChIKeyUTSLXYBGHPXPAK-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid (CID 63909565) is 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid is CNC(CN(CC(F)(F)F)C1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid?
The InChIKey is UTSLXYBGHPXPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-16-11(10(18)19,8-2-3-8)6-17(9-4-5-9)7-12(13,14)15/h8-9,16H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid?
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid has a molecular weight of 280.29 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid is sourced from PubChem (CID 63909565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).